methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate

Base Information

• Chemical Name: methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate
• CAS No.: 1315248-00-0
• Molecular Formula: C₄₀H₄₆N₆O₈S₂
• Molecular Weight: 802.973
• Mol file: 1315248-00-0.mol

Synonyms:methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate

Chemical Property of methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate

There total 2 articles about methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.0%

3-[(Z)-4-(3-formylphenoxy)-2-butenyl]oxybenzaldehyde (1315247-90-5) + 1-(3-oxobutyryl)pyrrolidine-2-carboxylic acid methyl ester (75652-78-7) + thiourea (17356-08-0) → methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate (1315248-00-0)

Guidance literature:

With cerium(III) chloride heptahydrate; In acetonitrile; at 85 - 90 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2011.04.048

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → methyl (2S)-1-(4-[3-((Z)-4-[3-(5-[(2S)-2-(methoxycarbonyl)tetrahydro-1H-1-pyrrolyl]carbonyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)phenoxy]-2-butenyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinylcarbonyl)tetrahydro-1H-2-pyrrolecarboxylate (1315248-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / acetonitrile / 48 h / 90 °C

2: cerium(III) chloride heptahydrate / acetonitrile / 85 - 90 °C / Inert atmosphere

With cerium(III) chloride heptahydrate; potassium carbonate; potassium iodide; In acetonitrile; 2: Biginelli pyrimidine synthesis;

DOI:10.1016/j.ejmech.2011.04.048

upstream raw materials:

3-[(Z)-4-(3-formylphenoxy)-2-butenyl]oxybenzaldehyde

1-(3-oxobutyryl)pyrrolidine-2-carboxylic acid methyl ester

thiourea

meta-hydroxybenzaldehyde